6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C18H13ClF3N3O2 — CID 109155464

IUPAC6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C18H13ClF3N3O2/c19-15-5-4-12(8-14(15)18(20,21)22)25-16-6-3-11(9-23-16)17(26)24-10-13-2-1-7-27-13/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyDFCOXQMBPVJFQK-UHFFFAOYSA-N
MW395.77 g/mol
LogP5.02
Rot. Bonds5

About 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide

6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109155464) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109155464
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C18H13ClF3N3O2/c19-15-5-4-12(8-14(15)18(20,21)22)25-16-6-3-11(9-23-16)17(26)24-10-13-2-1-7-27-13/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyDFCOXQMBPVJFQK-UHFFFAOYSA-N
XLogP5.02
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.77
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153417
N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 109155454
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346273
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134945
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155350
N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113050628
[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054062

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 109155464) is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccco1)c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1.
What is the InChIKey of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DFCOXQMBPVJFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c19-15-5-4-12(8-14(15)18(20,21)22)25-16-6-3-11(9-23-16)17(26)24-10-13-2-1-7-27-13/h1-9H,10H2,(H,23,25)(H,24,26).
What are the key properties of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 395.77 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109155464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).